2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile

C15H18N4O — CID 106793406

IUPAC2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile
SMILESCNCCc1cn(Cc2ccc(C#N)c(OC)c2)cn1
InChIInChI=1S/C15H18N4O/c1-17-6-5-14-10-19(11-18-14)9-12-3-4-13(8-16)15(7-12)20-2/h3-4,7,10-11,17H,5-6,9H2,1-2H3
InChIKeyORSVQCXAJYZZPB-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.57
Rot. Bonds6

About 2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile

2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 106793406) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID106793406
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile
SMILESCNCCc1cn(Cc2ccc(C#N)c(OC)c2)cn1
InChIInChI=1S/C15H18N4O/c1-17-6-5-14-10-19(11-18-14)9-12-3-4-13(8-16)15(7-12)20-2/h3-4,7,10-11,17H,5-6,9H2,1-2H3
InChIKeyORSVQCXAJYZZPB-UHFFFAOYSA-N
XLogP1.57
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile
CID 106721101
N-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 79985488
1-[1-[(3-bromo-4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 106718473
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 83894862
N-[2-[1-[(3-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79971964
N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 79985317
3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile
CID 79985574
2-methoxy-4-[(3-methylpyrazol-1-yl)methyl]benzonitrile
CID 106788437
4-(iodomethyl)-2-methoxybenzonitrile
CID 106794525
4-[(3-aminopyrazol-1-yl)methyl]-2-methoxybenzonitrile
CID 106787922
2-methoxy-4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]benzonitrile
CID 106792788
2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile
CID 106788433

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile (CID 106793406) is 2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile is CNCCc1cn(Cc2ccc(C#N)c(OC)c2)cn1.
What is the InChIKey of 2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile?
The InChIKey is ORSVQCXAJYZZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-17-6-5-14-10-19(11-18-14)9-12-3-4-13(8-16)15(7-12)20-2/h3-4,7,10-11,17H,5-6,9H2,1-2H3.
What are the key properties of 2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile?
2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 106793406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).